iterations/neb0_image09_iter41_OSZICAR.out output for 39: 512-->524:: F2 + Si-NH-Si on surface slat V5 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.209655519964E+04 0.20966E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.142917759414E+03 -0.22395E+04 -0.21495E+04 2160 0.262E+02
DAV: 3 -0.466142592795E+03 -0.32322E+03 -0.31985E+03 1824 0.108E+02
DAV: 4 -0.479138301502E+03 -0.12996E+02 -0.12943E+02 1976 0.229E+01
DAV: 5 -0.479607309494E+03 -0.46901E+00 -0.46874E+00 2096 0.382E+00 0.427E+01
DAV: 6 -0.447088510904E+03 0.32519E+02 -0.14258E+02 2016 0.309E+01 0.271E+01
DAV: 7 -0.449063176520E+03 -0.19747E+01 -0.75895E+01 1952 0.111E+01 0.137E+01
DAV: 8 -0.446181660339E+03 0.28815E+01 -0.82443E+00 2448 0.799E+00 0.833E+00
DAV: 9 -0.446718014691E+03 -0.53635E+00 -0.13031E+01 1888 0.380E+00 0.471E+00
DAV: 10 -0.446003938759E+03 0.71408E+00 -0.59069E-01 2048 0.381E+00 0.390E+00
DAV: 11 -0.446135756376E+03 -0.13182E+00 -0.31696E+00 1896 0.176E+00 0.418E+00
DAV: 12 -0.445965244162E+03 0.17051E+00 -0.10546E+00 1968 0.136E+00 0.267E+00
DAV: 13 -0.445986160244E+03 -0.20916E-01 -0.10954E+00 2016 0.862E-01 0.288E+00
DAV: 14 -0.445931976827E+03 0.54183E-01 -0.36898E-01 1912 0.596E-01 0.551E-01
DAV: 15 -0.445938858297E+03 -0.68815E-02 -0.11548E-02 1952 0.240E-01 0.481E-01
DAV: 16 -0.445940334823E+03 -0.14765E-02 -0.17259E-02 1928 0.160E-01 0.434E-01
DAV: 17 -0.445941243284E+03 -0.90846E-03 -0.82156E-03 1864 0.113E-01 0.135E-01
DAV: 18 -0.445944132065E+03 -0.28888E-02 -0.29633E-03 1896 0.712E-02 0.304E-01
DAV: 19 -0.445945637444E+03 -0.15054E-02 -0.29477E-03 1928 0.826E-02 0.161E-01
DAV: 20 -0.445947582182E+03 -0.19447E-02 -0.51454E-04 1776 0.403E-02 0.729E-02
DAV: 21 -0.445948325059E+03 -0.74288E-03 -0.24010E-04 1992 0.344E-02 0.232E-02
DAV: 22 -0.445948657286E+03 -0.33223E-03 -0.43204E-05 1712 0.154E-02 0.310E-02
DAV: 23 -0.445948940386E+03 -0.28310E-03 -0.25650E-05 1312 0.109E-02 0.319E-02
DAV: 24 -0.445949098902E+03 -0.15852E-03 -0.43728E-05 1448 0.142E-02 0.289E-02
DAV: 25 -0.445949155182E+03 -0.56280E-04 -0.82969E-06 1104 0.800E-03 0.152E-02
DAV: 26 -0.445949189250E+03 -0.34068E-04 -0.73877E-06 960 0.687E-03 0.317E-03
DAV: 27 -0.445949206770E+03 -0.17521E-04 -0.16761E-06 944 0.384E-03 0.127E-03
DAV: 28 -0.445949240484E+03 -0.33714E-04 -0.26167E-06 1096 0.328E-03 0.210E-03
DAV: 29 -0.445949244625E+03 -0.41413E-05 -0.35951E-07 936 0.188E-03
1 F= -.44594924E+03 E0= -.44592310E+03 d E =-.784405E-01